SCHEMBL6957015

SCHEMBL6957015

COC(=O)c1[nH]c2ccc(F)cc2c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
PARP1 P09874 1/20 0.48
HPGD P15428 2/20 0.47
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30071256 0.89 ALDH1A1 (0.49) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL20494584 0.89 ALDH1A1 (0.49) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL20570224 0.85 MAPT (0.58) KMT2AMEN1KDM4ELMNAPKM
SCHEMBL2204971 0.85 KMT2A (0.56) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL21465529 0.84 KMT2A (0.56) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL18121487 0.84 ALDH1A1 (0.55) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL2735787 0.82 KMT2A (0.55) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL21465522 0.82 KMT2A (0.58) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL6308065 0.82 KDM4E (0.58) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL24482984 0.82 MEN1 (0.47) KMT2AMEN1KDM4ELMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111222-A1 AMIDE DERIVATIVE SERVING AS PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST, AND USE THEREOF 安润医药科技(苏州)有限公司 2022-06-02 WO disclosed
EP-1001935-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
US-6288103-B1 MONOCYTE CHEMOATTRACTANT PROTEINS ANTAGONIST SUCH AS N-(3-CHLOROPHENYLSULPHONYL)INDOLE-2-CARBOXYLIC ACID; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2001-09-11 US disclosed
EP-1001935-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 2000-05-24 EP disclosed
WO-1999007678-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO disclosed